Inter-domain Communication Mechanisms in an ABC Importer: A Molecular Dynamics Study of the MalFGK2E Complex. - A. Sofia F. Oliveira; António M. Baptista; Cláudio M. Soares (PLoS Comput. Biol., 2011)

Exploring O2 Diffusion in A-Type Cytochrome c Oxidases: Molecular Dynamics Simulations Uncover Two Alternative Channels towards the Binuclear Site. - A. Sofia F. Oliveira; João M. Damas; António M. Baptista; Cláudio M. Soares (PLoS Comput. Biol., 2014)

Effect of a pH Gradient on the Protonation States of Cytochrome c Oxidase: A Continuum Electrostatics Study. - Pedro R. Magalhães; A. Sofia F. Oliveira; Sara R. R. Campos; Cláudio M. Soares; António M. Baptista (J. Chem. Inf. Model., 2017)

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. - Abigail C. Dommer; Lorenzo Casalino; Fiona L. Kearns; Mia A. Rosenfeld; Nicholas Wauer; Surl-Hee Ahn; John Russo 003; A. Sofia F. Oliveira; Clare Morris; Anthony T. Bogetti; Anda Trifan; Alexander Brace; et al. (Int. J. High Perform. Comput. Appl., 2023)